MMsINC Database Search


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MMsINC code: MMs03452671

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

OCc1c2c(c3c(cc2)cccc3)cc2c1cccc2

InChI:

InChI=1/C19H14O/c20-12-19-16-8-4-2-6-14(16)11-18-15-7-3-1-5-13(15)9-10-17(18)19/h1-11,20H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0048 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -6.78954	SlogP: 4.9049	Reactive groups: 0

Topological Properties
Globularity: 0.011819	Sterimol/B1: 2.27478	Sterimol/B2: 2.87194	Sterimol/B3: 4.41704
Sterimol/B4: 5.70244	Sterimol/L: 14.3107

Surface and Volume Properties
Accessible surface: 475.457	Positive charged surface: 239.461	Negative charged surface: 203.284	Volume: 261.25
Hydrophobic surface: 417.535	Hydrophilic surface: 57.922

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.